N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide

C23H29N3O4 — CID 34216601

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide
SMILESC[C@H]1CN(C(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)CCO1
InChIInChI=1S/C23H29N3O4/c1-17-13-26(10-12-29-17)22(27)16-25(15-21-3-2-11-30-21)14-18-4-6-19(7-5-18)23(28)24-20-8-9-20/h2-7,11,17,20H,8-10,12-16H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeySQJDELKPNWJMJG-KRWDZBQOSA-N
MW411.50 g/mol
LogP2.42
Rot. Bonds8

About N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 34216601) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide
PubChem CID34216601
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide
SMILESC[C@H]1CN(C(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)CCO1
InChIInChI=1S/C23H29N3O4/c1-17-13-26(10-12-29-17)22(27)16-25(15-21-3-2-11-30-21)14-18-4-6-19(7-5-18)23(28)24-20-8-9-20/h2-7,11,17,20H,8-10,12-16H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeySQJDELKPNWJMJG-KRWDZBQOSA-N
XLogP2.42
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide with MolForge

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Related Compounds

ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
CID 34216526
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide (CID 34216601) is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide is C[C@H]1CN(C(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)CCO1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is SQJDELKPNWJMJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17-13-26(10-12-29-17)22(27)16-25(15-21-3-2-11-30-21)14-18-4-6-19(7-5-18)23(28)24-20-8-9-20/h2-7,11,17,20H,8-10,12-16H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 34216601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).