N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide

C16H25NO3 — CID 61039574

IUPACN-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide
SMILESCC(OCc1ccccc1)C(=O)N(CCCO)C(C)C
InChIInChI=1S/C16H25NO3/c1-13(2)17(10-7-11-18)16(19)14(3)20-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,18H,7,10-12H2,1-3H3
InChIKeyMCZFQZWVQNSTCC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.21
Rot. Bonds8

About N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide

N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide (PubChem CID 61039574) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide
PubChem CID61039574
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide
SMILESCC(OCc1ccccc1)C(=O)N(CCCO)C(C)C
InChIInChI=1S/C16H25NO3/c1-13(2)17(10-7-11-18)16(19)14(3)20-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,18H,7,10-12H2,1-3H3
InChIKeyMCZFQZWVQNSTCC-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-phenylmethoxypropanoyl(propan-2-yl)amino]propanoic acid
CID 60830240
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylmethoxypropanamide
CID 112548097
N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
CID 54917384
S-phenyl (2R)-2-phenylmethoxypropanethioate
CID 15356044
N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
CID 61040005
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
CID 54916378
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide (CID 61039574) is N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide is CC(OCc1ccccc1)C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide?
The InChIKey is MCZFQZWVQNSTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)17(10-7-11-18)16(19)14(3)20-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,18H,7,10-12H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide?
N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 61039574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).