3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

C19H28ClN3O3 — CID 119751896

IUPAC3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C19H27N3O3.ClH/c23-18(13-20-10-14-6-7-14)21-11-15-3-1-4-16(9-15)19(24)22-12-17-5-2-8-25-17;/h1,3-4,9,14,17,20H,2,5-8,10-13H2,(H,21,23)(H,22,24);1H
InChIKeyXRWFCOSMESRLHD-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.63
Rot. Bonds9

About 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119751896) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
PubChem CID119751896
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C19H27N3O3.ClH/c23-18(13-20-10-14-6-7-14)21-11-15-3-1-4-16(9-15)19(24)22-12-17-5-2-8-25-17;/h1,3-4,9,14,17,20H,2,5-8,10-13H2,(H,21,23)(H,22,24);1H
InChIKeyXRWFCOSMESRLHD-UHFFFAOYSA-N
XLogP1.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120561368
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
(2S,5R)-5-(aminomethyl)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120790023

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (CID 119751896) is 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is Cl.O=C(CNCC1CC1)NCc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is XRWFCOSMESRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c23-18(13-20-10-14-6-7-14)21-11-15-3-1-4-16(9-15)19(24)22-12-17-5-2-8-25-17;/h1,3-4,9,14,17,20H,2,5-8,10-13H2,(H,21,23)(H,22,24);1H.
What are the key properties of 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119751896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).