N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride

C17H26ClN3O2 — CID 119723609

IUPACN-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1ccc(CNC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-3-16(21)20-15-8-6-14(7-9-15)11-19-17(22)12-18-10-13-4-5-13;/h6-9,13,18H,2-5,10-12H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyNKUWQKBIZOELCX-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.46
Rot. Bonds9

About N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride

N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride (PubChem CID 119723609) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
PubChem CID119723609
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1ccc(CNC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-3-16(21)20-15-8-6-14(7-9-15)11-19-17(22)12-18-10-13-4-5-13;/h6-9,13,18H,2-5,10-12H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyNKUWQKBIZOELCX-UHFFFAOYSA-N
XLogP2.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 47057603
ethyl 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoate;hydrochloride
CID 119746512
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride?
The IUPAC name of N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride (CID 119723609) is N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride?
The canonical SMILES for N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride is CCCC(=O)Nc1ccc(CNC(=O)CNCC2CC2)cc1.Cl.
What is the InChIKey of N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride?
The InChIKey is NKUWQKBIZOELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-2-3-16(21)20-15-8-6-14(7-9-15)11-19-17(22)12-18-10-13-4-5-13;/h6-9,13,18H,2-5,10-12H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride?
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.46, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119723609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).