2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide

C18H23N5O2 — CID 174285055

IUPAC2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
SMILESCNC(=O)N(CC(=O)Nc1ccc(CN)cc1)c1ccc(CN)cc1
InChIInChI=1S/C18H23N5O2/c1-21-18(25)23(16-8-4-14(11-20)5-9-16)12-17(24)22-15-6-2-13(10-19)3-7-15/h2-9H,10-12,19-20H2,1H3,(H,21,25)(H,22,24)
InChIKeyKHVVUCZJVBULQN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide

2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide (PubChem CID 174285055) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
PubChem CID174285055
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
SMILESCNC(=O)N(CC(=O)Nc1ccc(CN)cc1)c1ccc(CN)cc1
InChIInChI=1S/C18H23N5O2/c1-21-18(25)23(16-8-4-14(11-20)5-9-16)12-17(24)22-15-6-2-13(10-19)3-7-15/h2-9H,10-12,19-20H2,1H3,(H,21,25)(H,22,24)
InChIKeyKHVVUCZJVBULQN-UHFFFAOYSA-N
XLogP1.39
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63383294
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide (CID 174285055) is 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide is CNC(=O)N(CC(=O)Nc1ccc(CN)cc1)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide?
The InChIKey is KHVVUCZJVBULQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-18(25)23(16-8-4-14(11-20)5-9-16)12-17(24)22-15-6-2-13(10-19)3-7-15/h2-9H,10-12,19-20H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide?
2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide is sourced from PubChem (CID 174285055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).