ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane

C17H37N3O2 — CID 144604041

IUPACethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane
SMILESC=C(C)NC(C(=O)NCC(=O)NC)[C@@H](C)CC.CC.CCC
InChIInChI=1S/C12H23N3O2.C3H8.C2H6/c1-6-9(4)11(15-8(2)3)12(17)14-7-10(16)13-5;1-3-2;1-2/h9,11,15H,2,6-7H2,1,3-5H3,(H,13,16)(H,14,17);3H2,1-2H3;1-2H3/t9-,11?;;/m0../s1
InChIKeyMWWWFRARLAZPMF-RDZSRHKNSA-N
MW315.50 g/mol
LogP2.83
Rot. Bonds7

About ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane

ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane (PubChem CID 144604041) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane.

Molecular Properties

Compound Nameethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane
PubChem CID144604041
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Nameethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane
SMILESC=C(C)NC(C(=O)NCC(=O)NC)[C@@H](C)CC.CC.CCC
InChIInChI=1S/C12H23N3O2.C3H8.C2H6/c1-6-9(4)11(15-8(2)3)12(17)14-7-10(16)13-5;1-3-2;1-2/h9,11,15H,2,6-7H2,1,3-5H3,(H,13,16)(H,14,17);3H2,1-2H3;1-2H3/t9-,11?;;/m0../s1
InChIKeyMWWWFRARLAZPMF-RDZSRHKNSA-N
XLogP2.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]pentanoic acid
CID 61197618
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749
2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 18250246
2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 18221046
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 22706159
(3S)-3-amino-4-[[(2S,3S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 175745280
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 43054474
(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 101128246
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-methylpentanoyl]amino]acetic acid
CID 18232769
4-[[(2S)-1-[2-[[(2S)-2-(3-carboxypropanoylamino)-3-methylpentanoyl]amino]ethylamino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 89427803
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 18480506

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane?
The IUPAC name of ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane (CID 144604041) is ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane.
What is the SMILES notation for ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane?
The canonical SMILES for ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane is C=C(C)NC(C(=O)NCC(=O)NC)[C@@H](C)CC.CC.CCC.
What is the InChIKey of ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane?
The InChIKey is MWWWFRARLAZPMF-RDZSRHKNSA-N. The full InChI is InChI=1S/C12H23N3O2.C3H8.C2H6/c1-6-9(4)11(15-8(2)3)12(17)14-7-10(16)13-5;1-3-2;1-2/h9,11,15H,2,6-7H2,1,3-5H3,(H,13,16)(H,14,17);3H2,1-2H3;1-2H3/t9-,11?;;/m0../s1.
What are the key properties of ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane?
ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane has a molecular weight of 315.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(prop-1-en-2-ylamino)pentanamide;propane is sourced from PubChem (CID 144604041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).