1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide

C15H22N4O2 — CID 99704066

IUPAC1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)C1(NC(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-18(2)12-6-4-11(5-7-12)10-19(3)13(20)15(8-9-15)17-14(16)21/h4-7H,8-10H2,1-3H3,(H3,16,17,21)
InChIKeyVOCSSNUFRBTPTN-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.91
Rot. Bonds5

About 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide

1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 99704066) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID99704066
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)C1(NC(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-18(2)12-6-4-11(5-7-12)10-19(3)13(20)15(8-9-15)17-14(16)21/h4-7H,8-10H2,1-3H3,(H3,16,17,21)
InChIKeyVOCSSNUFRBTPTN-UHFFFAOYSA-N
XLogP0.91
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430281
2-[1-(aminomethyl)cyclobutyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 81173080
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452807
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 91834717
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide (CID 99704066) is 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1ccc(N(C)C)cc1)C(=O)C1(NC(N)=O)CC1.
What is the InChIKey of 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is VOCSSNUFRBTPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)12-6-4-11(5-7-12)10-19(3)13(20)15(8-9-15)17-14(16)21/h4-7H,8-10H2,1-3H3,(H3,16,17,21).
What are the key properties of 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide?
1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 99704066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).