3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide

C18H25N3O3 — CID 120786526

IUPAC3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C18H25N3O3/c1-11-2-3-13(17(22)20-14-4-5-14)10-15(11)21-18(23)16(19)12-6-8-24-9-7-12/h2-3,10,12,14,16H,4-9,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyCWYIOLSQPFKRJQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.58
Rot. Bonds5

About 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide

3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 120786526) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID120786526
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C18H25N3O3/c1-11-2-3-13(17(22)20-14-4-5-14)10-15(11)21-18(23)16(19)12-6-8-24-9-7-12/h2-3,10,12,14,16H,4-9,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyCWYIOLSQPFKRJQ-UHFFFAOYSA-N
XLogP1.58
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785843
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 120785624
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
CID 119713511
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide (CID 120786526) is 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(N)C1CCOCC1.
What is the InChIKey of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is CWYIOLSQPFKRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-2-3-13(17(22)20-14-4-5-14)10-15(11)21-18(23)16(19)12-6-8-24-9-7-12/h2-3,10,12,14,16H,4-9,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide?
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 120786526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).