(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide

C18H23N3O2 — CID 9299409

IUPAC(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
SMILESC[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-13(19-16-6-4-5-14(11-16)12-22)18(23)20-15-7-9-17(10-8-15)21(2)3/h4-11,13,19,22H,12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyJLYBDJICGATXLB-CYBMUJFWSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds6

About (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide

(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 9299409) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID9299409
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
SMILESC[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-13(19-16-6-4-5-14(11-16)12-22)18(23)20-15-7-9-17(10-8-15)21(2)3/h4-11,13,19,22H,12H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyJLYBDJICGATXLB-CYBMUJFWSA-N
XLogP2.68
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 110878851
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94643027
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
CID 155724825
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide (CID 9299409) is (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide is C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is JLYBDJICGATXLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(19-16-6-4-5-14(11-16)12-22)18(23)20-15-7-9-17(10-8-15)21(2)3/h4-11,13,19,22H,12H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 9299409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).