N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide

C16H25N3O2 — CID 63726100

IUPACN-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(CN)cc1)CC1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-19(11-14-6-8-21-9-7-14)12-16(20)18-15-4-2-13(10-17)3-5-15/h2-5,14H,6-12,17H2,1H3,(H,18,20)
InChIKeyWCRSFQCYTUMOPQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.44
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide

N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide (PubChem CID 63726100) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide
PubChem CID63726100
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(CN)cc1)CC1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-19(11-14-6-8-21-9-7-14)12-16(20)18-15-4-2-13(10-17)3-5-15/h2-5,14H,6-12,17H2,1H3,(H,18,20)
InChIKeyWCRSFQCYTUMOPQ-UHFFFAOYSA-N
XLogP1.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63383294
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide (CID 63726100) is N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccc(CN)cc1)CC1CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide?
The InChIKey is WCRSFQCYTUMOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(11-14-6-8-21-9-7-14)12-16(20)18-15-4-2-13(10-17)3-5-15/h2-5,14H,6-12,17H2,1H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide?
N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 63726100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).