N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide

C17H27N3O — CID 87003932

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)N1CCCC1
InChIInChI=1S/C17H27N3O/c1-14(2)19(3)13-16-9-5-4-8-15(16)12-18-17(21)20-10-6-7-11-20/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,18,21)
InChIKeyPKAMTJWNESJKRS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.83
Rot. Bonds5

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 87003932) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID87003932
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)N1CCCC1
InChIInChI=1S/C17H27N3O/c1-14(2)19(3)13-16-9-5-4-8-15(16)12-18-17(21)20-10-6-7-11-20/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,18,21)
InChIKeyPKAMTJWNESJKRS-UHFFFAOYSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
CID 110896024
4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879884
1-ethylsulfonyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55715200
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 110936545
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55694691
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
2-cyclopentyloxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 47056419
N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210128
1-(1-cyclopropylpiperidin-4-yl)-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 86994951

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide (CID 87003932) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide is CC(C)N(C)Cc1ccccc1CNC(=O)N1CCCC1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is PKAMTJWNESJKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)19(3)13-16-9-5-4-8-15(16)12-18-17(21)20-10-6-7-11-20/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,18,21).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87003932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).