2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C19H27ClN2O3 — CID 126449240

IUPAC2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESNCCOc1ccc(Cl)cc1C(=O)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C19H27ClN2O3/c20-15-6-7-18(25-10-8-21)17(11-15)19(23)22(12-14-3-1-4-14)13-16-5-2-9-24-16/h6-7,11,14,16H,1-5,8-10,12-13,21H2/t16-/m1/s1
InChIKeyLQDYCQOFQIKJRO-MRXNPFEDSA-N
MW366.89 g/mol
LogP3.10
Rot. Bonds8

About 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 126449240) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID126449240
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESNCCOc1ccc(Cl)cc1C(=O)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C19H27ClN2O3/c20-15-6-7-18(25-10-8-21)17(11-15)19(23)22(12-14-3-1-4-14)13-16-5-2-9-24-16/h6-7,11,14,16H,1-5,8-10,12-13,21H2/t16-/m1/s1
InChIKeyLQDYCQOFQIKJRO-MRXNPFEDSA-N
XLogP3.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 118790457
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
2-butoxy-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118857
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 126449240) is 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is NCCOc1ccc(Cl)cc1C(=O)N(CC1CCC1)C[C@H]1CCCO1.
What is the InChIKey of 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LQDYCQOFQIKJRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c20-15-6-7-18(25-10-8-21)17(11-15)19(23)22(12-14-3-1-4-14)13-16-5-2-9-24-16/h6-7,11,14,16H,1-5,8-10,12-13,21H2/t16-/m1/s1.
What are the key properties of 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 366.89 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-chloro-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126449240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).