(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide

C16H26N2O2 — CID 119311259

IUPAC(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
SMILESCC(C)CCOc1ccc(C(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-10-20-15-7-5-14(6-8-15)13(4)18-16(19)12(3)17/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyIDKOMAQNVWSMQL-UEWDXFNNSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds7

About (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide

(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide (PubChem CID 119311259) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
PubChem CID119311259
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
SMILESCC(C)CCOc1ccc(C(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-10-20-15-7-5-14(6-8-15)13(4)18-16(19)12(3)17/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyIDKOMAQNVWSMQL-UEWDXFNNSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596907
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide (CID 119311259) is (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide is CC(C)CCOc1ccc(C(C)NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide?
The InChIKey is IDKOMAQNVWSMQL-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)9-10-20-15-7-5-14(6-8-15)13(4)18-16(19)12(3)17/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide?
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 119311259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).