3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide

C20H22N4O2 — CID 22716905

IUPAC3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide
SMILES[H]/N=C(\N)c1cccc(C(=O)N(CC(=O)NCC2CC2)c2ccccc2)c1
InChIInChI=1S/C20H22N4O2/c21-19(22)15-5-4-6-16(11-15)20(26)24(17-7-2-1-3-8-17)13-18(25)23-12-14-9-10-14/h1-8,11,14H,9-10,12-13H2,(H3,21,22)(H,23,25)
InChIKeyBKRBQKOPZDJKGB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.14
Rot. Bonds7

About 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide

3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide (PubChem CID 22716905) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide
PubChem CID22716905
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide
SMILES[H]/N=C(\N)c1cccc(C(=O)N(CC(=O)NCC2CC2)c2ccccc2)c1
InChIInChI=1S/C20H22N4O2/c21-19(22)15-5-4-6-16(11-15)20(26)24(17-7-2-1-3-8-17)13-18(25)23-12-14-9-10-14/h1-8,11,14H,9-10,12-13H2,(H3,21,22)(H,23,25)
InChIKeyBKRBQKOPZDJKGB-UHFFFAOYSA-N
XLogP2.14
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-adamantylamino)-2-oxoethyl]-3-carbamimidoyl-N-phenylbenzamide
CID 22716883
2-(N-(3-carbamimidoylbenzoyl)anilino)acetic acid;4-(4-chlorobenzoyl)piperidine-1-carboxamide
CID 67098779
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-[[4-(aminomethyl)-4-phenylcyclohexyl]methyl]-2-[(3-carbamimidoylphenyl)methylamino]acetamide
CID 22716866
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 24703101
2-[N-(7-carbamimidoylnaphthalene-2-carbonyl)-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]acetic acid
CID 139881441
N-(cyclopropylmethyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide
CID 52910290
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;(2R)-2-[(3-carbamimidoylbenzoyl)amino]-2-phenylacetic acid
CID 172773145
2-(N-[3-(N'-acetylcarbamimidoyl)benzoyl]anilino)acetic acid
CID 67097918

Frequently Asked Questions

What is the IUPAC name of 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide?
The IUPAC name of 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide (CID 22716905) is 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide.
What is the SMILES notation for 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide?
The canonical SMILES for 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide is [H]/N=C(\N)c1cccc(C(=O)N(CC(=O)NCC2CC2)c2ccccc2)c1.
What is the InChIKey of 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide?
The InChIKey is BKRBQKOPZDJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-19(22)15-5-4-6-16(11-15)20(26)24(17-7-2-1-3-8-17)13-18(25)23-12-14-9-10-14/h1-8,11,14H,9-10,12-13H2,(H3,21,22)(H,23,25).
What are the key properties of 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide?
3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamimidoyl-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-phenylbenzamide is sourced from PubChem (CID 22716905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).