2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide

C14H22N4O2 — CID 61449717

IUPAC2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H22N4O2/c1-4-18(10-13(19)17(2)3)14(20)16-12-7-5-6-11(8-12)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,20)
InChIKeyBDBRZGSJIOGHEI-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds5

About 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide

2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 61449717) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide
PubChem CID61449717
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H22N4O2/c1-4-18(10-13(19)17(2)3)14(20)16-12-7-5-6-11(8-12)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,20)
InChIKeyBDBRZGSJIOGHEI-UHFFFAOYSA-N
XLogP1.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
3-[3-(aminomethyl)phenyl]-1-(2-ethoxyethyl)-1-methylurea
CID 81056992
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide (CID 61449717) is 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)C(=O)Nc1cccc(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is BDBRZGSJIOGHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18(10-13(19)17(2)3)14(20)16-12-7-5-6-11(8-12)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,20).
What are the key properties of 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide?
2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 278.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61449717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).